dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium

C23H27N4O2+ — CID 7338441

IUPACdimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium
SMILESCn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)NCC[NH+](C)C)c2ccccc21
InChIInChI=1S/C23H26N4O2/c1-25(2)13-12-24-21(28)15-27-22(17-9-4-5-10-18(17)23(27)29)19-14-26(3)20-11-7-6-8-16(19)20/h4-11,14,22H,12-13,15H2,1-3H3,(H,24,28)/p+1/t22-/m0/s1
InChIKeyRMDRIWNWNISFAX-QFIPXVFZSA-O
MW391.50 g/mol
LogP0.98
Rot. Bonds6

About dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium

dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium (PubChem CID 7338441) has the molecular formula C23H27N4O2+ and a molecular weight of 391.50 g/mol. Its IUPAC name is dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium
PubChem CID7338441
Molecular FormulaC23H27N4O2+
Molecular Weight391.50 g/mol
Exact Mass391.21
IUPAC Namedimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium
SMILESCn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)NCC[NH+](C)C)c2ccccc21
InChIInChI=1S/C23H26N4O2/c1-25(2)13-12-24-21(28)15-27-22(17-9-4-5-10-18(17)23(27)29)19-14-26(3)20-11-7-6-8-16(19)20/h4-11,14,22H,12-13,15H2,1-3H3,(H,24,28)/p+1/t22-/m0/s1
InChIKeyRMDRIWNWNISFAX-QFIPXVFZSA-O
XLogP0.98
TPSA58.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium with MolForge

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Related Compounds

N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
CID 7338454
(3R)-3-(1-methylindol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-isoindol-1-one
CID 40964690
N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 3888160
2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-propylacetamide
CID 3331200
N,2-bis(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 15999652
N-[3-(diethylamino)propyl]-2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide;oxalic acid
CID 163326811
2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)acetamide
CID 7336774
2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide
CID 45133702
N-(3-methylbutyl)-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetamide
CID 3602254
2-[(1S)-1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 41145284
N-[3-(diethylamino)propyl]-2-[(1R)-1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
CID 41145280
2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-prop-2-enylacetamide
CID 5025350

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium?
The IUPAC name of dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium (CID 7338441) is dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium is Cn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)NCC[NH+](C)C)c2ccccc21.
What is the InChIKey of dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium?
The InChIKey is RMDRIWNWNISFAX-QFIPXVFZSA-O. The full InChI is InChI=1S/C23H26N4O2/c1-25(2)13-12-24-21(28)15-27-22(17-9-4-5-10-18(17)23(27)29)19-14-26(3)20-11-7-6-8-16(19)20/h4-11,14,22H,12-13,15H2,1-3H3,(H,24,28)/p+1/t22-/m0/s1.
What are the key properties of dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium?
dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium has a molecular weight of 391.50 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium is sourced from PubChem (CID 7338441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).